Projects

Dynamics

A2: Dynamically consistent coarse-grained models
A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
A4: Understanding Water Relaxation Dynamics at Interfaces
A5 (E): Heat transfer in polymer nanocomposites
A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids
A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
A8 (N): Roberto - Improved dynamics in self-consistent field molecular dynamics simulations of polymers
A9 (N): Coarse grained nonequilibrium dynamics of active soft matter

B1: Inverse problems in coarse-grained particle simulations
B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations
B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
B5 (N): Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
B6 (N): Topological validation of coarse-grained polymer models
B7 (N): Machine learning for multiscale simulations

C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems
C3: Spinodal decomposition of polymer-solvent systems
C4 (E): Nonlocal electrostatics of biomolecular systems
C5: Adaptive hybrid multiscale simulations of soft matter fluids
C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
C7 (N): Dense active suspensions in the chaotic regime
C8 (N): Numerical approximation of high-dimensional Fokker-Planck equations